1-[(4-bromophenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C18H28BrN3O+2 MolecularWeight: 382.33842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C18H26BrN3O/c19-16-6-4-15(5-7-16)14-21-12-8-18(9-13-21,17(20)23)22-10-2-1-3-11-22/h4-7H,1-3,8-14H2,(H2,20,23)/p+2